UCSF

ZINC20388692

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 34 No

Popular Name: 2-[{[4-(2,6-dimethylphenyl)piperazino]methyl}(hydroxy)amino]-5-{(Z)-[2-(trifluoromethyl)phenyl]methylidene}-1,3-thiazol-4-one 2-[{[4-(2,6-dimethylphenyl)piper…

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CAS Number: 866040-91-7

Other Names:

MFCD04125708

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Annotations

None

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.16 9.75 -16.77 1 6 0 68 490.551 5 ↓
Hi High (pH 8-9.5) 5.20 8.84 -44.11 0 6 -1 63 489.543 6 ↓
Mid Mid (pH 6-8) 6.16 12.17 -51.13 2 6 1 69 491.559 5 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 157 KeyOrganics

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.